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Interfaces in PDB 3qsd crystal.
Space symmetry group: P 21 21 21. Resolution: 1.30 Å

STRUCTURE OF CATHEPSIN B1 FROM SCHISTOSOMA MANSONI IN COMPLEX WITH CA074 INHIBITOR

Interfaces

##		Structure 1				×	Structure 2						interface area, Å²	ΔⁱG kcal/mol	ΔⁱG P-value	N_HB	N_SB	N_DS	CSS
NN	«»	Range	ⁱN_at	ⁱN_res	Surface Å²	×	Range	Symmetry op-n	Sym.ID	ⁱN_at	ⁱN_res	Surface Å²	interface area, Å²	ΔⁱG kcal/mol	ΔⁱG P-value	N_HB	N_SB	N_DS	CSS
`1`		A	`42`	`15`	`11935`	`x`	A	x-1,y,z	`1_455`	`57`	`23`	`11935`	`453.8`	`0.8`	`0.563`	`7`	`1`	`0`	`0.000`
`2`		A	`44`	`13`	`11935`	`x`	A	-x+1/2,-y,z-1/2	`2_554`	`46`	`17`	`11935`	`407.1`	`2.1`	`0.737`	`6`	`0`	`0`	`0.000`
`3`		[074]A:324	`26`	`1`	`607`	`cf`	A	x,y,z	`1_555`	`49`	`26`	`11935`	`388.9`	`1.3`	`0.259`	`10`	`0`	`0`	`0.077`
`4`		A	`30`	`8`	`11935`	`x`	A	-x,y-1/2,-z+1/2	`3_545`	`25`	`7`	`11935`	`234.0`	`-3.0`	`0.207`	`1`	`0`	`0`	`0.000`
`5`		A	`24`	`7`	`11935`	`x`	A	x-1/2,-y+1/2,-z	`4_455`	`27`	`8`	`11935`	`228.9`	`-0.6`	`0.466`	`3`	`0`	`0`	`0.000`
`6`		[ACT]A:325	`4`	`1`	`182`	`f`	A	x,y,z	`1_555`	`19`	`10`	`11935`	`123.5`	`-2.0`	`0.349`	`0`	`0`	`0`	`0.050`
`7`		[PEG]A:1	`6`	`1`	`267`	`f`	A	x,y,z	`1_555`	`15`	`5`	`11935`	`114.2`	`1.8`	`0.297`	`1`	`0`	`0`	`0.000`
`8`		A	`15`	`6`	`11935`	`x`	A	-x+1,y-1/2,-z+1/2	`3_645`	`8`	`3`	`11935`	`107.2`	`-0.0`	`0.568`	`2`	`0`	`0`	`0.000`
`9`		[PEG]A:1	`6`	`1`	`267`	`◊`	A	x-1,y,z	`1_455`	`12`	`6`	`11935`	`85.9`	`2.5`	`0.382`	`1`	`0`	`0`	`0.000`
`10`		[ACT]A:2	`4`	`1`	`183`	`f`	A	x,y,z	`1_555`	`13`	`4`	`11935`	`81.2`	`0.6`	`0.739`	`2`	`0`	`0`	`0.006`
`11`		A	`2`	`1`	`11935`	`◊`	[074]A:324	x-1,y,z	`1_455`	`5`	`1`	`607`	`36.1`	`1.3`	`0.672`	`0`	`0`	`0`	`0.000`

PDBe PISA v1.52 [20/10/2014]

Protein Data Bank
in Europe